Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008347
PROPERTIES
| NPAID | NPA008347 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Paspaline |
| FORMULA | C28H39NO2 |
| MOLECULAR WEIGHT (Da) | 421.6250 |
| ACCURATE MASS (Da) | 421.2981 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | paspali |
| InChIKey | WLAIEIMDXUAGPY-HSECPPETSA-N |
| InChI | InChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1 |
| SMILES | C[C@@]12CC[C@H](O[C@H]1CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)C)C(C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Springer, James P; Clardy, Jon; others Paspaline and paspalicine, two indole-mevalonate metabolites from Claviceps paspali Tetrahedron Letters 1980 21 (3) 231-234. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)71176-2 | PMID | - |
